O3-tert-butyl O5-methyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-methyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-methyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate CAS Name: 4-phenyl-1H-pyrazole-3,5-dicarboxylic acid O3-tert-butyl ester O5-methyl ester IUPAC Name: 3-O-tert-butyl 5-O-methyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate Traditional Name: 4-phenyl-1H-pyrazole-3,5-dicarboxylic acid O3-tert-butyl ester O5-methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NNC(=C1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=NNC(=C1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O4/c1-16(2,3)22-15(20)13-11(10-8-6-5-7-9-10)12(17-18-13)14(19)21-4/h5-9H,1-4H3,(H,17,18)